1-[4-[4-hydroxy-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]-3-methylimidazolidin-2-one

C23H23N7O2 — CID 135857291

IUPAC1-[4-[4-hydroxy-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2ccc(-c3nn(C)c(-c4nc5cc6c(cc5[nH]4)CNC6)c3O)cc2)C1=O
InChIInChI=1S/C23H23N7O2/c1-28-7-8-30(23(28)32)16-5-3-13(4-6-16)19-21(31)20(29(2)27-19)22-25-17-9-14-11-24-12-15(14)10-18(17)26-22/h3-6,9-10,24,31H,7-8,11-12H2,1-2H3,(H,25,26)
InChIKeyNLZNMMMSTNJIJE-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.81
Rot. Bonds3

About 1-[4-[4-hydroxy-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]-3-methylimidazolidin-2-one

1-[4-[4-hydroxy-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]-3-methylimidazolidin-2-one (PubChem CID 135857291) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 1-[4-[4-hydroxy-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[4-hydroxy-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]-3-methylimidazolidin-2-one
PubChem CID135857291
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name1-[4-[4-hydroxy-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2ccc(-c3nn(C)c(-c4nc5cc6c(cc5[nH]4)CNC6)c3O)cc2)C1=O
InChIInChI=1S/C23H23N7O2/c1-28-7-8-30(23(28)32)16-5-3-13(4-6-16)19-21(31)20(29(2)27-19)22-25-17-9-14-11-24-12-15(14)10-18(17)26-22/h3-6,9-10,24,31H,7-8,11-12H2,1-2H3,(H,25,26)
InChIKeyNLZNMMMSTNJIJE-UHFFFAOYSA-N
XLogP2.81
TPSA102.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[4-[4-hydroxy-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]-3-methylimidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-hydroxy-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[4-[4-hydroxy-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]-3-methylimidazolidin-2-one (CID 135857291) is 1-[4-[4-hydroxy-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[4-[4-hydroxy-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[4-[4-hydroxy-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]-3-methylimidazolidin-2-one is CN1CCN(c2ccc(-c3nn(C)c(-c4nc5cc6c(cc5[nH]4)CNC6)c3O)cc2)C1=O.
What is the InChIKey of 1-[4-[4-hydroxy-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]-3-methylimidazolidin-2-one?
The InChIKey is NLZNMMMSTNJIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-28-7-8-30(23(28)32)16-5-3-13(4-6-16)19-21(31)20(29(2)27-19)22-25-17-9-14-11-24-12-15(14)10-18(17)26-22/h3-6,9-10,24,31H,7-8,11-12H2,1-2H3,(H,25,26).
What are the key properties of 1-[4-[4-hydroxy-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]-3-methylimidazolidin-2-one?
1-[4-[4-hydroxy-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]-3-methylimidazolidin-2-one has a molecular weight of 429.48 g/mol, XLogP of 2.81, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-hydroxy-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 135857291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).